论文标题
有机太阳能电池中非富勒烯受体的化学设计规则
Chemical design rules for non-fullerene acceptors in organic solar cells
论文作者
论文摘要
自从非富勒烯受体（NFAS）的发展以来，有机太阳能电池的效率实际上已经翻了一番。但是，仍然需要针对供体NFA组合的通用化学设计规则。通过分析供体界面处的不均匀静电场提出了此类规则。结果表明，受体支持者分子结构和平行于界面的分子比对导致能级弯曲，从而破坏电荷传递状态，从而将其解离为自由电荷。通过分析一系列PCE10：NFA太阳能电池，其中包括Y6，IEICO和ITIC在内的NFA及其卤代衍生物，建议Ca 75 debye的分子四极矩平衡发电发电效率的开路电压和增长。
Efficiencies of organic solar cells have practically doubled since the development of non-fullerene acceptors (NFAs). However, generic chemical design rules for donor-NFA combinations are still needed. Such rules are proposed by analyzing inhomogeneous electrostatic fields at the donor-acceptor interface. It is shown that an acceptor-donor-acceptor molecular architecture, and molecular alignment parallel to the interface, results in energy level bending that destabilizes the charge transfer state, thus promoting its dissociation into free charges. By analyzing a series of PCE10:NFA solar cells, with NFAs including Y6, IEICO, and ITIC, as well as their halogenated derivatives, it is suggested that the molecular quadrupole moment of ca 75 Debye A balances the losses in the open circuit voltage and gains in charge generation efficiency.
